SCHEMBL12777895

SCHEMBL12777895

O=Cc1ccc2[nH]c(I)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 8/20 0.52
▸ KIF11 P52732 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TSHR P16473 1/20 0.33
▸ ALDH1A3 P47895 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4074346 0.77 CYP2A6 (0.53) CYP2A6KIF11ALDH1A1KDM4EPTGS2
SCHEMBL5049996 0.73 CYP2A6 (0.56) CYP2A6KIF11
SCHEMBL6518705 0.73 SMAD3 (0.62) CYP2A6ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL378037 0.73 CYP2A6 (0.47) CYP2A6KIF11KDM4EPTGS2RAB9A
SCHEMBL16030171 0.73 CYP2A6 (0.47) CYP2A6KIF11ALDH1A1KDM4EPTGS2
SCHEMBL30406251 0.73 CYP2A6 (0.47) CYP2A6KIF11ALDH1A1KDM4EPTGS2
SCHEMBL1615647 0.72 CYP2A6 (0.46) CYP2A6KIF11ALDH1A1KDM4ETSHR
SCHEMBL376513 0.70 CYP2A6 (0.45) CYP2A6KIF11KDM4EPTGS2RAB9A
SCHEMBL22546881 0.70 CYP2A6 (0.45) CYP2A6KIF11ALDH1A1KDM4EPTGS2
SCHEMBL31115552 0.70 CYP2A6 (0.45) CYP2A6KIF11KDM4EPTGS2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161324-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2024-12-20 — — CN disclosed
US-20220213062-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2022-07-07 — — US disclosed
US-11339141-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2022-05-24 — — US disclosed
US-20210002252-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2021-01-07 — — US disclosed
US-10640485-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2020-05-05 — — US disclosed
US-10640485-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2020-05-05 — — US disclosed
US-20190119249-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2019-04-25 — — US disclosed
US-20190119249-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2019-04-25 — — US disclosed
EP-3416638-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2018-12-26 — — EP disclosed
US-10138219-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS (US) 2018-11-27 — — US disclosed
WO-2017143291-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2017-08-24 — — WO disclosed
US-20170240525-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2017-08-24 — — US disclosed
WO-2017143291-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2017-08-24 — — WO disclosed
US-20170240525-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2017-08-24 — — US disclosed
WO-2011050160-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2011-04-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170240525-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CYP2A6 3886/4885KIF11 3015/4885ALDH1A1 1538/4885
US-11339141-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CYP2A6 3886/4885KIF11 3015/4885ALDH1A1 1538/4885
US-20220213062-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CYP2A6 3886/4885KIF11 3015/4885ALDH1A1 1538/4885
US-20190119249-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CYP2A6 3886/4885KIF11 3015/4885ALDH1A1 1538/4885
US-10640485-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CYP2A6 3886/4885KIF11 3015/4885ALDH1A1 1538/4885
US-20210002252-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS CYP2A6 3886/4885KIF11 3015/4885ALDH1A1 1538/4885
US-10138219-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CYP2A6 3886/4885KIF11 3015/4885ALDH1A1 1538/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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